1. Discovery of substituted oxadiazoles as a novel scaffold for DNA gyrase inhibitorsŽiga Jakopin, Janez Ilaš, Michaela Barančokova, Matjaž Brvar, Päivi Tammela, Marija Sollner Dolenc, Tihomir Tomašič, Danijel Kikelj, 2017, original scientific article Keywords: 1, 2, 4-oxadiazoles, DNA gyrase inhibition, topoisomerase IV inhibition, antibacterial screening, computer-aided drug design
Full text (file, 1,45 MB) This document has more files! More... |
2. The Eighth Central European Conference "Chemistry towards Biology"András Perczel, Atanas G. Atanasov, Vladimír Sklenář, Jiři Nováček, Veronika Papoušková, Pavel Kadeřávek, Lukáš Žídek, Henryk Kozłowski, Joanna Watły, Aleksandra Hecel, Paulina Kołkowska, Jaroslav Koča, Radka Svobodová-Vařeková, Lukáš Pravda, David Sehnal, Vladimír Horský, Stanislav Geidl, Ricardo D. Enriz, Pavel Matějka, Adéla Jeništová, Marcela Dendisová, Alžběta Kokaislová, Volkmar Weissig, Mark Olsen, Aidan Coffey, Jude Ajuebor, Ruth Keary, Marta Sanz-Gaitero, Mark J. van Raaij, Olivia McAuliffe, Birgit Waltenberger, Andrei Mocan, Karel Šmejkal, Elke H. Heiss, Marc Diederich, Robert Musioł, Janez Košmrlj, Jarosław Polański, Josef Jampílek, 2016, review article Keywords: chemistry, biochemistry, biology, pharmacy, drug design, targeting, chemical biology, biological chemistry, proteins and nucleic acids, natural compounds, synthesis, biomaterials, nanoparticles, ADME, drug delivery systems
Full text (file, 1,10 MB) This document has more files! More... |
3. Prioritisation of compounds for 3CL$^{pro}$ inhibitor development on SARS-CoV-2 variantsMarko Jukič, Blaž Škrlj, Gašper Tomšič, Sebastian Pleško, Črtomir Podlipnik, Urban Bren, 2021, original scientific article Keywords: COVID-19, SARS-CoV-2, free-energy calculations, in silico drug design, virtual screening, inhibitors, 3C-like protease, M$^{pro}$, 3CL$^{pro}$, high-throughput, chemical library design, machine learning, compound prioritisation
Full text (file, 6,56 MB) This document has more files! More... |
4. Predicting drug release rate of implantable matrices and better understanding of the underlying mechanisms through experimental design and artificial neural network-based modellingErnő Benkő, Ilija German Ilić, Katalin Kristó, Géza Regdon, Ildikó Csóka, Klára Pintye-Hódi, Stanko Srčič, Tamás Sovány, 2022, original scientific article Keywords: drug–excipient interaction, polymers, non-degradable polymers, matrix tablet, controlled release, design of experiments, artificial neural networks
Full text (file, 3,15 MB) This document has more files! More... |
5. Catalytic stereoconvergent synthesis of homochiral β‑CF$_3$, β‑SCF$_3$, and β‑OCF$_3$ benzylic alcoholsAndrej Emanuel Cotman, Pavel A. Dub, Maša Sterle, Matic Lozinšek, Jaka Dernovšek, Živa Zajec, Anamarija Zega, Tihomir Tomašič, Dominique Cahard, 2022, original scientific article Keywords: adaptive crystals, asymmetric catalysis, density functional calculations, drug design, fluorine, hydrogenation, kinetic resolution, ruthenium, alcohols, catalysts, crystals, ketones, stereoselectivity
Full text (file, 2,08 MB) This document has more files! More... |
6. Strukturno podprto načrtovanje, sinteza in biološko vrednotenje novih zaviralcev O-β-N-acetilglukozaminil transferazeElena Maria Loi, 2023, doctoral dissertation Keywords: O-GlcNAcylation, OGT, OGA, OGT inhibitors, posttranslational modifications, computational drug design, virtual screening, ester hydrolysis, metabolic stability.
Full text (file, 20,68 MB) |
7. Strukturno podprto načrtovanje, sinteza in biološko vrednotenje novih zaviralcev O-β-N-acetilglukozaminil transferazeElena Maria Loi, 2023, doctoral dissertation Keywords: O-GlcNAcylation, OGT, OGA, OGT inhibitors, posttranslational, modifications, computational drug design, virtual screening, ester hydrolysis, metabolic stability
Full text (file, 20,68 MB) |
8. A set of experimentally validated decoys for the human CC chemokine receptor 7 (CCR7) obtained by virtual screeningMatic Proj, Steven De Jonghe, Tom Van Loy, Marko Jukič, Anže Meden, Luka Ciber, Črtomir Podlipnik, Uroš Grošelj, Janez Konc, Dominique Schols, Stanislav Gobec, 2022, original scientific article Keywords: virtual screening, decoys, chemical library, computer-aided drug design, CCR7, GPCR
Full text (file, 2,30 MB) This document has more files! More... |
9. Hydrogen-bonding ability of Noyori–Ikariya catalysts enables stereoselective access to CF$_3$-substituted syn-1,2-diols via dynamic kinetic resolutionMaša Sterle, Matej Huš, Matic Lozinšek, Anamarija Zega, Andrej Emanuel Cotman, 2023, short scientific article Keywords: asymmetric catalysis, DFT, drug design, fluorine, hydrogenation, kinetic resolution, ruthenium, catalysts, ketones, noncovalent interactions, redox reactions, stereoselectivity
Full text (file, 2,30 MB) This document has more files! More... |
|
